tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane

C33H66O4Si3 — CID 11093289

IUPACtert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane
SMILESCCCC[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2(CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2)O[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C33H66O4Si3/c1-16-17-21-32(37-40(14,15)31(6,7)8)23-24-33(36-29(32)20-26-38(9,10)11)22-18-27(2)28(35-33)19-25-34-39(12,13)30(3,4)5/h27-29H,16-19,21-25H2,1-15H3/t27-,28+,29-,32+,33?/m0/s1
InChIKeyHBOOUTOVDDMNCL-NVAMGJGMSA-N
MW611.15 g/mol
LogP9.92
Rot. Bonds9

About tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane

tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane (PubChem CID 11093289) has the molecular formula C33H66O4Si3 and a molecular weight of 611.15 g/mol. Its IUPAC name is tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane
PubChem CID11093289
Molecular FormulaC33H66O4Si3
Molecular Weight611.15 g/mol
Exact Mass610.43
IUPAC Nametert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane
SMILESCCCC[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2(CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2)O[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C33H66O4Si3/c1-16-17-21-32(37-40(14,15)31(6,7)8)23-24-33(36-29(32)20-26-38(9,10)11)22-18-27(2)28(35-33)19-25-34-39(12,13)30(3,4)5/h27-29H,16-19,21-25H2,1-15H3/t27-,28+,29-,32+,33?/m0/s1
InChIKeyHBOOUTOVDDMNCL-NVAMGJGMSA-N
XLogP9.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.15
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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2-trimethylsilylethyl (2E,4E,6S)-6-[(2R,5S,8S,9R)-9-[(2E,4E,6S,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethylocta-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-2-yl]-6-hydroxy-3-methylhexa-2,4-dienoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane (CID 11093289) is tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane is CCCC[C@@]1(O[Si](C)(C)C(C)(C)C)CCC2(CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2)O[C@H]1C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane?
The InChIKey is HBOOUTOVDDMNCL-NVAMGJGMSA-N. The full InChI is InChI=1S/C33H66O4Si3/c1-16-17-21-32(37-40(14,15)31(6,7)8)23-24-33(36-29(32)20-26-38(9,10)11)22-18-27(2)28(35-33)19-25-34-39(12,13)30(3,4)5/h27-29H,16-19,21-25H2,1-15H3/t27-,28+,29-,32+,33?/m0/s1.
What are the key properties of tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane has a molecular weight of 611.15 g/mol, XLogP of 9.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11093289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).